ACCESSION: MSBNK-EPA-ENTACT_AGILENT001870
RECORD_TITLE: 1,2,4-Benzenetricarboxylic acid; ESI-QTOF; MS2; CE: 20; [M+H]+
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: 1,2,4-Benzenetricarboxylic acid
CH$NAME: DTXSID3021487
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₆O₆
CH$EXACT_MASS: 210.0164379252
CH$SMILES: OC(=O)C1C=CC(=CC=1C(O)=O)C(O)=O
CH$IUPAC: InChI=1S/C9H6O6/c10-7(11)4-1-2-5(8(12)13)6(3-4)9(14)15/h1-3H,(H,10,11)(H,12,13)(H,14,15)
CH$LINK: CAS 528-44-9
CH$LINK: INCHIKEY ARCGXLSVLAOJQL-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:10708

AC$INSTRUMENT: N/A
AC$INSTRUMENT_TYPE: ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20

MS$FOCUSED_ION: PRECURSOR_M/Z 211.0237143769
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-0006-0900000000-8ad259ffd7ff31ae464c
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
  77.038577 1.112836 11
  79.017841 1.382137 13
  81.033491 6.264085 62
  109.028406 12.087175 120
  119.049141 1.078707 10
  137.02332 10.37417 103
  165.018235 30.161776 301
  193.01315 99.999998 999
//